N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide

C18H28N2O2 — CID 77080451

IUPACN-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
SMILESCOc1cc(C)c(CN2CCCC(NC(C)=O)C2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-12-9-18(22-5)14(3)13(2)17(12)11-20-8-6-7-16(10-20)19-15(4)21/h9,16H,6-8,10-11H2,1-5H3,(H,19,21)
InChIKeyDALWMFXKRLFSCS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.72
Rot. Bonds4

About N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide

N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 77080451) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
PubChem CID77080451
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
SMILESCOc1cc(C)c(CN2CCCC(NC(C)=O)C2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-12-9-18(22-5)14(3)13(2)17(12)11-20-8-6-7-16(10-20)19-15(4)21/h9,16H,6-8,10-11H2,1-5H3,(H,19,21)
InChIKeyDALWMFXKRLFSCS-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
1-[2,4,6-trimethyl-3-[[3-(methylamino)piperidin-1-yl]methyl]phenyl]ethanone;hydrochloride
CID 119920332
N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
CID 97259531
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-[6-[(3R)-1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]-3-pyridinyl]benzamide
CID 125005203
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
CID 56824166
2-[4-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 99955086
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171690391
N-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]acetamide
CID 87014515

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide (CID 77080451) is N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide is COc1cc(C)c(CN2CCCC(NC(C)=O)C2)c(C)c1C.
What is the InChIKey of N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is DALWMFXKRLFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-9-18(22-5)14(3)13(2)17(12)11-20-8-6-7-16(10-20)19-15(4)21/h9,16H,6-8,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide?
N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 77080451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).